Here is lambda.in and out. On Fri, Jul 28, 2017 at 12:13 PM, Isaiah Moses <[email protected]> wrote:
> Dr Giovanni, > Thanks a lot. > I appreciate your response. > We observed few values of frequencies to be negative. > Matdyn1 has few more with others having either the first or the first 2/3 > to be negative. > We set those to be zero, modifying lambda.f90 code. > > Could that be the problem? > > I've attached the input/output for lambda.x execution. Also matdyn1 and 45. > > There are 62-points and 33 irreps. > I appreciate your time. > > Isaiah > > On Fri, Jul 28, 2017 at 10:41 AM, Giovanni Cantele < > [email protected]> wrote: > >> Not that easy to answer without seeing relevant input/output files. >> >> As far as I know, Tc is quite difficult to converge. Did you made VERY >> VERY VERY careful checks on convergence with >> resect to ALL calculation parameters, starting from phonon frequencies? >> >> Giovanni >> >> >> On 28 Jul 2017, at 11:37, Isaiah Moses <[email protected]> wrote: >> >> Dear everyone, >> >> I did an el-ph calculation of a monoclinic structure and am getting >> really strange values of Tc . See the result below >> lambda omega_log T_c >> 0.00994 112.048 0.10012314E+08 >> 0.03760 92.373 0.13380511E+10 >> 0.07564 90.247 0.39802174E+19 >> 0.09959 89.414 0.19865362E+78 >> 0.11010 89.463 0.40671597-151 >> 0.11454 90.329 0.16986711E-65 >> 0.11678 92.320 0.99512429E-51 >> 0.11772 94.657 0.29927798E-46 >> 0.11744 97.141 0.16242032E-47 >> 0.11619 99.442 0.65514785E-54 >> >> I'm wondering why such values. >> >> Any comment shall be greatly appreciated. >> >> Thanks, >> Isaiah >> >> -- >> Isaiah Abu Moses >> Graduate Student, >> Physics Department, >> University of Ibadan, >> Nigeria >> >> >> >> -- >> Isaiah Abu Moses >> Graduate Student, >> Physics Department, >> University of Ibadan, >> Nigeria >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum >> >> >> -- >> >> Giovanni Cantele, PhD >> CNR-SPIN >> c/o Dipartimento di Fisica >> Universita' di Napoli "Federico II" >> Complesso Universitario M. S. Angelo - Ed. 6 >> Via Cintia, I-80126, Napoli, Italy >> e-mail: [email protected] >> Phone: +39 081 676910 >> Skype contact: giocan74 >> >> ResearcherID: http://www.researcherid.com/rid/A-1951-2009 >> Web page: http://people.fisica.unina.it/~cantele >> >> >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > Isaiah Abu Moses > Graduate Student, > Physics Department, > University of Ibadan, > Nigeria > -- Isaiah Abu Moses Graduate Student, Physics Department, University of Ibadan, Nigeria
CyanoPh_lambda.in
Description: Binary data
CyanoPh_lambda.out
Description: Binary data
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